#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw h VAL 2 N 0.00 1.26 -0.02 -1.45 -1.51 -2.00 -3.19 116.25 109.34 3cpw h VAL 2 Ca 0.00 -2.72 0.00 0.00 -1.23 0.00 0.00 66.70 62.75 3cpw h VAL 2 Cb 0.00 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3cpw h VAL 2 CO 0.00 0.70 -0.33 0.00 -1.23 0.00 0.00 177.57 176.72 3cpw n TYR 3 N -3.31 0.00 -3.52 5.19 0.18 -1.26 -4.85 117.16 109.58 3cpw n TYR 3 Ca 0.01 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.42 3cpw n TYR 3 Cb 0.81 -0.03 -0.08 0.00 -0.38 0.00 0.00 39.34 39.66 3cpw n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3cpw s VAL 4 N -2.39 5.28 0.00 -3.48 1.01 -1.21 -4.88 120.40 114.73 3cpw s VAL 4 Ca 0.23 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3cpw s VAL 4 Cb 0.19 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3cpw s VAL 4 CO 0.51 0.31 0.94 0.47 0.00 0.00 0.00 175.10 177.33 3cpw n ASP 5 N 4.30 1.79 -3.62 3.32 8.00 -1.26 -4.76 116.55 124.33 3cpw n ASP 5 Ca -0.12 -1.89 -0.12 0.00 0.71 0.00 0.00 54.79 53.38 3cpw n ASP 5 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.55 3cpw n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3cpw s PHE 6 N -0.89 -0.59 -0.05 1.24 -0.12 -1.26 -5.11 117.98 111.20 3cpw s PHE 6 Ca 0.00 1.37 -0.16 0.00 -0.05 0.00 0.00 56.93 58.09 3cpw s PHE 6 Cb 0.00 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 3cpw s PHE 6 CO 0.00 -0.33 0.44 0.34 -0.05 0.00 0.00 175.22 175.62 3cpw s ASP 7 N -0.00 6.75 -0.26 1.98 2.15 -1.26 -4.98 116.67 121.04 3cpw s ASP 7 Ca 0.00 0.89 -0.10 0.00 0.43 0.00 0.00 52.55 53.77 3cpw s ASP 7 Cb -0.04 -2.27 -0.05 0.00 -0.30 0.00 0.00 42.92 40.27 3cpw s ASP 7 CO -0.01 0.18 0.16 -0.69 -0.17 0.00 0.00 175.17 174.64 3cpw s VAL 8 N -0.30 5.17 0.32 1.11 1.01 -1.26 -5.06 120.40 121.38 3cpw s VAL 8 Ca 0.24 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 3cpw s VAL 8 Cb -0.16 -3.44 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 3cpw s VAL 8 CO 0.12 0.29 1.45 -2.65 0.00 0.00 0.00 175.10 174.31 3cpw n PRO 9 N 4.81 2.41 -0.31 2.72 -0.02 -1.26 -4.79 135.00 138.56 3cpw n PRO 9 Ca -0.15 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3cpw n PRO 9 Cb 0.52 -2.54 0.25 0.00 -0.02 0.00 0.00 33.50 31.71 3cpw n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cpw h ALA 10 N 3.55 1.06 -0.56 3.55 0.00 -1.99 0.55 119.26 125.41 3cpw h ALA 10 Ca -0.47 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3cpw h ALA 10 Cb 1.26 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 3cpw h ALA 10 CO 0.70 -0.51 0.29 -0.44 0.00 0.00 0.00 179.25 179.29 3cpw h ASP 11 N 0.07 0.72 -0.76 0.00 3.32 -2.00 -1.97 116.42 115.80 3cpw h ASP 11 Ca 0.53 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 3cpw h ASP 11 Cb 1.05 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 3cpw h ASP 11 CO -0.81 0.63 0.40 0.25 -1.72 0.00 0.00 179.24 177.99 3cpw h LEU 12 N 0.76 0.96 -1.33 1.55 6.46 -1.28 -1.81 115.31 120.63 3cpw h LEU 12 Ca 0.20 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 3cpw h LEU 12 Cb 0.08 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 3cpw h LEU 12 CO -0.03 0.79 0.17 -0.08 -0.62 0.00 0.00 178.44 178.67 3cpw h GLU 13 N 1.05 0.63 -0.03 1.25 4.81 -1.07 -1.93 114.58 119.29 3cpw h GLU 13 Ca 0.26 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3cpw h GLU 13 Cb 0.06 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3cpw h GLU 13 CO -0.04 0.53 0.01 -0.44 -0.73 0.00 0.00 179.01 178.34 3cpw h ASP 14 N 0.62 0.04 -0.53 1.04 3.32 -0.58 -1.47 116.42 118.87 3cpw h ASP 14 Ca 0.15 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.06 3cpw h ASP 14 Cb 0.14 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3cpw h ASP 14 CO -0.01 0.24 0.22 0.44 -1.72 0.00 0.00 179.24 178.41 3cpw h ASP 15 N -0.16 0.27 0.21 6.45 3.32 -1.09 -0.86 116.42 124.56 3cpw h ASP 15 Ca 0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3cpw h ASP 15 Cb 0.21 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3cpw h ASP 15 CO -0.00 0.18 -0.17 0.00 -1.72 0.00 0.00 179.24 177.53 3cpw h ALA 16 N 1.33 -0.37 -0.83 3.45 0.00 -1.21 -0.31 119.26 121.32 3cpw h ALA 16 Ca 0.25 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3cpw h ALA 16 Cb 0.23 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3cpw h ALA 16 CO -0.22 -0.72 0.54 -0.07 0.00 0.00 0.00 179.25 178.77 3cpw h LEU 17 N -0.39 0.90 -0.51 0.00 3.38 -1.01 -0.12 115.31 117.56 3cpw h LEU 17 Ca -0.01 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3cpw h LEU 17 Cb 0.35 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3cpw h LEU 17 CO -0.01 0.63 0.26 -0.33 0.09 0.00 0.00 178.44 179.07 3cpw h GLU 18 N 1.06 0.50 -0.04 1.13 5.08 -0.84 -0.55 114.58 120.91 3cpw h GLU 18 Ca 0.32 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3cpw h GLU 18 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3cpw h GLU 18 CO -0.10 0.33 -0.30 0.00 -1.00 0.00 0.00 179.01 177.94 3cpw h ALA 19 N 1.27 1.44 -0.27 3.43 0.00 -0.33 -2.59 119.26 122.20 3cpw h ALA 19 Ca 0.22 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3cpw h ALA 19 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cpw h ALA 19 CO -0.15 0.41 -0.54 1.25 0.00 0.00 0.00 179.25 180.22 3cpw h LEU 20 N 0.06 0.90 -0.76 0.00 5.85 -0.02 -1.46 115.31 119.88 3cpw h LEU 20 Ca 0.01 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 3cpw h LEU 20 Cb 0.56 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3cpw h LEU 20 CO 0.04 1.26 0.18 -0.33 -0.34 0.00 0.00 178.44 179.25 3cpw h GLU 21 N 0.62 1.12 0.00 1.25 5.08 -0.83 -1.16 114.58 120.65 3cpw h GLU 21 Ca 0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3cpw h GLU 21 Cb 1.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3cpw h GLU 21 CO 0.12 0.98 0.00 -0.39 -1.00 0.00 0.00 179.01 178.71 3cpw h VAL 22 N 1.06 0.00 -0.08 3.13 -1.51 -1.42 -3.09 116.25 114.34 3cpw h VAL 22 Ca 0.22 -0.54 -0.24 0.00 -1.23 0.00 0.00 66.70 64.91 3cpw h VAL 22 Cb 0.35 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 31.02 3cpw h VAL 22 CO 0.00 0.00 -0.90 0.00 -1.23 0.00 0.00 177.57 175.44 3cpw h ALA 23 N 2.30 0.23 0.00 5.19 0.00 -0.12 -0.45 119.26 126.41 3cpw h ALA 23 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3cpw h ALA 23 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3cpw h ALA 23 CO 0.00 0.69 -0.45 0.07 0.00 0.00 0.00 179.25 179.56 3cpw h ARG 24 N 0.47 0.00 0.17 0.00 0.11 -1.26 0.22 114.38 114.09 3cpw h ARG 24 Ca -0.09 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.64 3cpw h ARG 24 Cb 1.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 3cpw h ARG 24 CO 0.18 0.45 -1.79 -0.44 0.10 0.00 0.00 179.97 178.47 3cpw h ASP 25 N 0.00 0.57 0.02 0.08 3.32 -1.53 -3.42 116.42 115.46 3cpw h ASP 25 Ca -0.00 -0.94 -0.39 0.00 0.02 0.00 0.00 57.03 55.71 3cpw h ASP 25 Cb 0.86 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 3cpw h ASP 25 CO 0.06 1.80 -2.27 0.41 -1.72 0.00 0.00 179.24 177.52 3cpw n THR 26 N -3.59 1.56 0.00 0.35 -1.04 -0.18 -5.03 114.28 106.35 3cpw n THR 26 Ca -0.26 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 3cpw n THR 26 Cb 1.06 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3cpw n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cpw n GLY 27 N 1.76 1.99 3.03 3.41 0.00 0.77 -4.66 105.19 111.49 3cpw n GLY 27 Ca -0.45 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 3cpw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw s ALA 28 N -2.82 0.74 0.04 4.61 0.00 -0.01 -4.66 121.76 119.66 3cpw s ALA 28 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3cpw s ALA 28 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3cpw s ALA 28 CO 0.00 0.16 -0.06 0.14 0.00 0.00 0.00 175.76 176.01 3cpw s VAL 29 N -0.34 0.36 -0.17 0.00 -7.23 -1.26 -0.82 120.40 110.94 3cpw s VAL 29 Ca 0.02 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.08 3cpw s VAL 29 Cb -0.04 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 3cpw s VAL 29 CO -0.00 -0.49 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.66 3cpw s LYS 30 N -1.77 3.37 -0.13 4.82 -0.14 0.16 -4.84 119.74 121.21 3cpw s LYS 30 Ca -0.10 -0.66 -0.04 0.00 -1.36 0.00 0.00 55.97 53.81 3cpw s LYS 30 Cb -0.08 -2.78 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 3cpw s LYS 30 CO -0.01 0.03 -0.00 0.15 -0.76 0.00 0.00 175.35 174.76 3cpw s LYS 31 N 0.84 3.47 0.00 1.68 1.02 -1.26 -0.96 119.74 124.52 3cpw s LYS 31 Ca -0.03 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3cpw s LYS 31 Cb -0.15 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3cpw s LYS 31 CO 0.01 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 3cpw n GLY 32 N 3.01 2.55 0.35 -3.33 0.00 -0.93 -4.61 105.19 102.23 3cpw n GLY 32 Ca -0.18 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.44 3cpw n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cpw h THR 33 N 0.00 0.99 -0.01 2.61 2.02 -1.94 -0.11 112.91 116.47 3cpw h THR 33 Ca 0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3cpw h THR 33 Cb 0.00 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3cpw h THR 33 CO 0.00 0.13 -0.00 -1.13 0.37 0.00 0.00 175.52 174.89 3cpw h ASN 34 N 0.71 0.01 -0.43 4.18 -1.24 -1.93 -0.49 115.58 116.38 3cpw h ASN 34 Ca 0.31 -0.43 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 3cpw h ASN 34 Cb 0.32 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 3cpw h ASN 34 CO -0.11 0.44 0.09 -0.33 -1.29 0.00 0.00 177.43 176.23 3cpw h GLU 35 N -0.42 0.78 -0.67 6.67 5.08 -1.76 -2.25 114.58 122.02 3cpw h GLU 35 Ca 0.00 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 3cpw h GLU 35 Cb 0.44 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3cpw h GLU 35 CO 0.00 0.73 0.18 1.15 -1.00 0.00 0.00 179.01 180.07 3cpw h THR 36 N 0.75 1.25 -0.72 1.13 2.02 -0.95 -2.69 112.91 113.71 3cpw h THR 36 Ca 0.16 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 3cpw h THR 36 Cb 0.33 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3cpw h THR 36 CO 0.00 0.35 0.18 0.74 0.37 0.00 0.00 175.52 177.16 3cpw h THR 37 N 1.00 1.26 0.00 3.16 2.02 -0.52 -2.69 112.91 117.14 3cpw h THR 37 Ca 0.21 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 3cpw h THR 37 Cb 0.33 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3cpw h THR 37 CO -0.00 0.38 -0.39 0.11 0.37 0.00 0.00 175.52 175.98 3cpw h LYS 38 N 1.09 0.00 0.64 6.66 1.57 -1.24 -2.07 116.57 123.21 3cpw h LYS 38 Ca 0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3cpw h LYS 38 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3cpw h LYS 38 CO 0.00 0.39 -0.31 0.77 -0.57 0.00 0.00 179.45 179.74 3cpw h SER 39 N 0.00 -0.72 -1.00 0.86 0.02 -1.17 0.66 113.55 112.21 3cpw h SER 39 Ca -0.00 -0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.15 3cpw h SER 39 Cb 0.77 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 3cpw h SER 39 CO 0.05 -0.40 0.62 0.40 -1.14 0.00 0.00 176.83 176.36 3cpw h ILE 40 N -1.04 0.63 0.01 3.27 2.04 -1.41 0.71 117.51 121.73 3cpw h ILE 40 Ca -0.09 -0.20 -0.23 0.00 1.00 0.00 0.00 64.86 65.34 3cpw h ILE 40 Cb 0.70 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3cpw h ILE 40 CO 0.14 0.11 -0.97 -0.33 0.00 0.00 0.00 178.15 177.10 3cpw h GLU 41 N 0.59 0.40 -0.00 2.37 5.08 -1.01 -3.11 114.58 118.88 3cpw h GLU 41 Ca 0.58 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3cpw h GLU 41 Cb 1.15 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3cpw h GLU 41 CO -0.35 1.12 -0.16 0.54 -1.00 0.00 0.00 179.01 179.16 3cpw n ARG 42 N -3.73 0.68 0.00 2.33 1.74 0.23 -4.93 116.66 112.99 3cpw n ARG 42 Ca -0.07 -0.29 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 3cpw n ARG 42 Cb 0.85 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3cpw n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 43 N 1.31 2.98 0.00 -0.13 0.00 0.23 -4.87 105.19 104.71 3cpw n GLY 43 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3cpw n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cpw n SER 44 N 0.00 0.00 -4.79 1.61 3.41 -1.07 -4.75 113.62 108.03 3cpw n SER 44 Ca 0.00 -0.33 -0.38 0.00 -0.26 0.00 0.00 58.87 57.90 3cpw n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3cpw n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cpw s ALA 45 N -2.00 3.60 -0.16 7.33 0.00 -1.24 -4.13 121.76 125.15 3cpw s ALA 45 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3cpw s ALA 45 Cb 0.06 -2.54 -0.11 0.00 0.00 0.00 0.00 23.12 20.53 3cpw s ALA 45 CO 0.10 0.31 -0.14 0.39 0.00 0.00 0.00 175.76 176.43 3cpw n GLU 46 N 2.35 0.50 -3.68 0.00 1.02 -1.16 -4.84 120.64 114.82 3cpw n GLU 46 Ca -0.11 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 3cpw n GLU 46 Cb 0.52 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 3cpw n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3cpw s LEU 47 N -5.91 -0.22 -0.07 -4.62 2.96 -1.23 -3.91 118.68 105.68 3cpw s LEU 47 Ca -0.21 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 3cpw s LEU 47 Cb 0.06 1.22 -0.03 0.00 0.50 0.00 0.00 46.19 47.94 3cpw s LEU 47 CO 0.39 -0.21 -0.12 0.68 -1.32 0.00 0.00 176.35 175.78 3cpw s VAL 48 N 1.84 3.26 -0.04 1.68 -7.23 -0.45 0.20 120.40 119.66 3cpw s VAL 48 Ca -0.06 -0.64 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 3cpw s VAL 48 Cb -0.10 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3cpw s VAL 48 CO -0.12 0.58 0.07 -0.36 -0.31 0.00 0.00 175.10 174.96 3cpw s PHE 49 N -0.58 3.28 -0.12 2.82 0.40 0.51 -1.10 117.98 123.20 3cpw s PHE 49 Ca 0.08 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.61 3cpw s PHE 49 Cb -0.11 -1.77 0.05 0.00 0.51 0.00 0.00 43.02 41.69 3cpw s PHE 49 CO 0.01 0.55 0.07 0.08 0.70 0.00 0.00 175.22 176.64 3cpw s VAL 50 N -1.10 -0.05 0.92 -0.44 1.01 -0.70 -0.91 120.40 119.13 3cpw s VAL 50 Ca 0.20 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 3cpw s VAL 50 Cb -0.12 -0.44 0.15 0.00 0.00 0.00 0.00 36.38 35.98 3cpw s VAL 50 CO 0.10 -0.09 1.12 0.00 0.00 0.00 0.00 175.10 176.23 3cpw s ALA 51 N 2.13 1.33 -0.54 5.51 0.00 0.10 -1.69 121.76 128.60 3cpw s ALA 51 Ca 0.03 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.47 3cpw s ALA 51 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3cpw s ALA 51 CO -0.07 -2.73 0.44 0.39 0.00 0.00 0.00 175.76 173.79 3cpw n GLU 52 N -4.20 3.27 -1.49 0.00 1.02 0.41 -4.57 120.64 115.08 3cpw n GLU 52 Ca 0.10 -0.30 -0.34 0.00 -0.02 0.00 0.00 57.16 56.60 3cpw n GLU 52 Cb 0.53 -0.93 0.07 0.00 -0.02 0.00 0.00 31.44 31.08 3cpw n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cpw n ASP 53 N -0.67 7.36 -4.70 1.62 5.75 -1.20 -4.50 116.55 120.20 3cpw n ASP 53 Ca 0.02 -3.79 -0.38 0.00 -0.01 0.00 0.00 54.79 50.64 3cpw n ASP 53 Cb 0.14 -0.92 -0.07 0.00 -1.03 0.00 0.00 41.12 39.24 3cpw n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3cpw s VAL 54 N -4.85 5.21 -0.07 2.12 1.01 -1.26 -4.84 120.40 117.72 3cpw s VAL 54 Ca 0.62 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 3cpw s VAL 54 Cb 0.49 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 33.16 3cpw s VAL 54 CO -0.06 0.31 0.13 -1.58 0.00 0.00 0.00 175.10 173.90 3cpw s GLN 55 N 0.85 0.00 0.66 2.72 -0.44 -1.26 -3.63 119.66 118.56 3cpw s GLN 55 Ca 0.22 0.51 -0.16 0.00 -2.50 0.00 0.00 55.36 53.42 3cpw s GLN 55 Cb -0.14 -0.33 -0.00 0.00 -1.64 0.00 0.00 33.01 30.90 3cpw s GLN 55 CO 0.08 -0.31 1.16 -2.14 0.50 0.00 0.00 175.29 174.58 3cpw s PRO 56 N 2.21 2.69 0.40 1.67 0.02 -1.26 -5.09 135.00 135.64 3cpw s PRO 56 Ca 0.03 1.59 0.21 0.00 0.02 0.00 0.00 61.00 62.85 3cpw s PRO 56 Cb -0.12 -1.92 0.75 0.00 0.02 0.00 0.00 34.50 33.24 3cpw s PRO 56 CO -0.05 -1.37 1.76 0.93 -0.33 0.00 0.00 177.00 177.94 3cpw h GLU 57 N 0.19 0.00 -1.12 5.54 5.08 -2.01 -3.24 114.58 119.03 3cpw h GLU 57 Ca -0.48 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.19 3cpw h GLU 57 Cb 1.27 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 3cpw h GLU 57 CO 0.53 0.31 0.75 0.93 -1.00 0.00 0.00 179.01 180.53 3cpw h GLU 58 N 0.00 0.22 -0.07 2.33 3.07 -1.98 -0.39 114.58 117.76 3cpw h GLU 58 Ca -0.00 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 3cpw h GLU 58 Cb 0.85 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3cpw h GLU 58 CO 0.04 0.15 0.15 0.82 -1.40 0.00 0.00 179.01 178.77 3cpw h ILE 59 N 0.23 0.22 0.00 3.13 2.04 -1.96 -3.18 117.51 117.99 3cpw h ILE 59 Ca 0.61 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.47 3cpw h ILE 59 Cb 1.86 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3cpw h ILE 59 CO -0.21 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.46 3cpw n VAL 60 N -3.36 0.00 -0.50 1.67 0.31 -0.23 -4.82 118.33 111.40 3cpw n VAL 60 Ca -0.01 -0.25 0.41 0.00 -0.01 0.00 0.00 64.34 64.48 3cpw n VAL 60 Cb 0.24 1.06 0.71 0.00 -0.91 0.00 0.00 33.84 34.94 3cpw n VAL 60 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3cpw h MET 61 N 0.00 0.06 0.01 5.55 2.86 -1.34 -0.98 114.93 121.09 3cpw h MET 61 Ca 0.00 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 3cpw h MET 61 Cb 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3cpw h MET 61 CO 0.00 0.04 -0.92 1.12 1.06 0.00 0.00 176.91 178.21 3cpw h HIS 62 N 0.06 0.30 -0.79 -0.22 2.07 -1.88 -3.38 115.15 111.32 3cpw h HIS 62 Ca 0.80 -0.17 0.11 0.00 -2.85 0.00 0.00 60.37 58.26 3cpw h HIS 62 Cb 2.82 -0.03 -0.13 0.00 2.57 0.00 0.00 27.41 32.64 3cpw h HIS 62 CO -0.00 1.01 -0.43 0.82 -3.07 0.00 0.00 177.93 176.25 3cpw h ILE 63 N 0.10 0.05 -0.01 6.12 1.08 -1.53 -0.37 117.51 122.95 3cpw h ILE 63 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3cpw h ILE 63 Cb 1.56 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 3cpw h ILE 63 CO 0.14 0.00 -0.11 -0.65 -0.69 0.00 0.00 178.15 176.84 3cpw h PRO 64 N -0.11 -0.12 -0.37 2.37 0.11 -1.76 0.25 132.00 132.38 3cpw h PRO 64 Ca 0.24 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3cpw h PRO 64 Cb 0.55 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 3cpw h PRO 64 CO -0.83 -0.08 0.25 1.49 -0.21 0.00 0.00 178.00 178.62 3cpw h GLU 65 N -0.12 0.49 -0.18 1.05 4.81 -1.78 -1.59 114.58 117.25 3cpw h GLU 65 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3cpw h GLU 65 Cb 0.14 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3cpw h GLU 65 CO -0.08 0.32 0.06 1.25 -0.73 0.00 0.00 179.01 179.84 3cpw h LEU 66 N 0.50 0.25 -0.88 1.64 5.85 -0.68 -2.64 115.31 119.35 3cpw h LEU 66 Ca 0.14 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3cpw h LEU 66 Cb -0.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3cpw h LEU 66 CO -0.03 0.36 0.39 0.00 -0.34 0.00 0.00 178.44 178.82 3cpw h ALA 67 N 0.90 1.12 -0.32 1.25 0.00 -0.03 -3.05 119.26 119.12 3cpw h ALA 67 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3cpw h ALA 67 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3cpw h ALA 67 CO -0.00 0.66 0.15 -0.44 0.00 0.00 0.00 179.25 179.62 3cpw h ASP 68 N 1.18 0.22 0.00 0.00 3.32 -1.11 -1.02 116.42 119.02 3cpw h ASP 68 Ca 0.28 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3cpw h ASP 68 Cb 0.13 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3cpw h ASP 68 CO -0.03 0.17 0.00 -1.84 -1.72 0.00 0.00 179.24 175.82 3cpw n GLU 69 N -4.96 0.95 -0.06 3.56 0.28 -1.01 -2.35 120.64 117.05 3cpw n GLU 69 Ca -0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.00 3cpw n GLU 69 Cb 0.08 -1.24 0.01 0.00 1.43 0.00 0.00 31.44 31.72 3cpw n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3cpw n LYS 70 N -0.24 0.88 -0.16 3.44 4.76 -0.47 -4.99 118.16 121.38 3cpw n LYS 70 Ca 0.00 -0.94 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 3cpw n LYS 70 Cb 0.12 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 3cpw n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cpw n GLY 71 N -0.21 0.02 3.70 0.72 0.00 -0.71 -4.91 105.19 103.79 3cpw n GLY 71 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3cpw n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpw s VAL 72 N -1.02 3.29 0.41 1.61 1.01 -0.84 -4.98 120.40 119.87 3cpw s VAL 72 Ca 0.00 0.80 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 3cpw s VAL 72 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 3cpw s VAL 72 CO 0.00 0.02 1.02 -2.84 0.00 0.00 0.00 175.10 173.30 3cpw s PRO 73 N 1.99 4.17 0.01 2.72 0.02 -1.25 -4.38 135.00 138.28 3cpw s PRO 73 Ca 0.68 1.41 -0.03 0.00 0.02 0.00 0.00 61.00 63.07 3cpw s PRO 73 Cb -0.37 -2.45 -0.01 0.00 0.02 0.00 0.00 34.50 31.70 3cpw s PRO 73 CO 0.30 -0.12 0.04 -0.59 -0.33 0.00 0.00 177.00 176.30 3cpw s PHE 74 N -1.78 0.16 0.02 6.54 -0.12 -1.26 -1.33 117.98 120.20 3cpw s PHE 74 Ca 0.59 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 57.15 3cpw s PHE 74 Cb -0.19 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.06 3cpw s PHE 74 CO 0.24 -0.23 -0.08 -1.50 -0.05 0.00 0.00 175.22 173.59 3cpw s ILE 75 N -1.40 0.63 0.11 -4.49 2.07 -0.25 -4.95 121.20 112.91 3cpw s ILE 75 Ca -0.15 -0.74 -0.12 0.00 -1.41 0.00 0.00 60.65 58.23 3cpw s ILE 75 Cb -0.09 -0.61 -0.06 0.00 0.13 0.00 0.00 42.46 41.83 3cpw s ILE 75 CO 0.00 -0.10 0.47 -0.36 -1.91 0.00 0.00 174.94 173.04 3cpw s PHE 76 N -0.78 3.60 -0.04 3.50 2.99 -1.26 -1.73 117.98 124.26 3cpw s PHE 76 Ca -0.03 0.93 0.06 0.00 0.00 0.00 0.00 56.93 57.89 3cpw s PHE 76 Cb -0.07 -2.26 -0.01 0.00 0.00 0.00 0.00 43.02 40.68 3cpw s PHE 76 CO 0.00 0.48 -0.21 0.08 -0.00 0.00 0.00 175.22 175.57 3cpw s VAL 77 N -1.41 1.75 -0.00 -0.44 1.01 -0.68 -4.88 120.40 115.75 3cpw s VAL 77 Ca 0.35 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 3cpw s VAL 77 Cb -0.15 -1.48 -0.19 0.00 0.00 0.00 0.00 36.38 34.56 3cpw s VAL 77 CO 0.18 0.49 1.35 -0.33 0.00 0.00 0.00 175.10 176.79 3cpw h GLU 78 N 6.01 0.01 -5.90 2.72 4.39 -1.94 0.12 114.58 119.99 3cpw h GLU 78 Ca -0.34 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 58.76 3cpw h GLU 78 Cb 1.16 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 3cpw h GLU 78 CO 0.47 0.42 -0.18 -0.65 -1.16 0.00 0.00 179.01 177.91 3cpw s GLN 79 N -4.57 4.09 0.08 2.33 -1.52 -1.26 -3.26 119.66 115.55 3cpw s GLN 79 Ca -0.15 0.42 -0.14 0.00 -1.95 0.00 0.00 55.36 53.54 3cpw s GLN 79 Cb 0.02 -3.30 -0.21 0.00 -0.22 0.00 0.00 33.01 29.30 3cpw s GLN 79 CO 0.68 0.49 1.22 0.37 -0.25 0.00 0.00 175.29 177.80 3cpw h GLN 80 N 5.46 0.71 0.00 2.91 4.15 -1.87 -3.19 115.11 123.29 3cpw h GLN 80 Ca -0.47 -0.70 -0.07 0.00 0.77 0.00 0.00 58.65 58.18 3cpw h GLN 80 Cb 1.20 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 3cpw h GLN 80 CO 0.67 1.28 -0.32 -0.44 -1.93 0.00 0.00 178.83 178.10 3cpw h ASP 81 N 0.41 0.00 -0.00 -0.69 3.32 -1.90 -1.93 116.42 115.63 3cpw h ASP 81 Ca -0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3cpw h ASP 81 Cb 1.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.11 3cpw h ASP 81 CO 0.18 0.32 -0.00 0.44 -1.72 0.00 0.00 179.24 178.46 3cpw h ASP 82 N 0.00 0.01 -0.83 6.45 3.32 -1.93 0.00 116.42 123.44 3cpw h ASP 82 Ca -0.00 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.64 3cpw h ASP 82 Cb 0.80 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 3cpw h ASP 82 CO 0.04 0.46 0.55 0.25 -1.72 0.00 0.00 179.24 178.82 3cpw h LEU 83 N -0.45 0.84 -0.68 1.55 5.85 -1.54 0.47 115.31 121.35 3cpw h LEU 83 Ca 0.00 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3cpw h LEU 83 Cb 0.46 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3cpw h LEU 83 CO 0.00 0.56 -0.36 1.23 -0.34 0.00 0.00 178.44 179.52 3cpw h GLY 84 N 0.96 0.66 1.05 3.75 0.00 -1.30 -0.62 103.07 107.57 3cpw h GLY 84 Ca 0.35 -0.64 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 3cpw h GLY 84 CO -0.12 0.58 -0.73 0.84 0.00 0.00 0.00 176.54 177.10 3cpw h HIS 85 N 0.51 0.91 -0.93 5.60 -0.00 0.18 0.81 115.15 122.23 3cpw h HIS 85 Ca 0.05 -0.43 -0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3cpw h HIS 85 Cb 0.86 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 28.10 3cpw h HIS 85 CO 0.04 1.25 0.57 0.00 -0.00 0.00 0.00 177.93 179.78 3cpw h ALA 86 N 0.47 1.25 0.00 5.26 0.00 -0.02 0.37 119.26 126.59 3cpw h ALA 86 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cpw h ALA 86 Cb 1.38 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3cpw h ALA 86 CO 0.15 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.05 3cpw n ALA 87 N -2.40 2.27 -1.02 0.00 0.00 -0.25 -3.93 120.51 115.19 3cpw n ALA 87 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3cpw n ALA 87 Cb 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3cpw n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 88 N 0.50 0.78 3.78 0.00 0.00 0.12 -4.98 105.19 105.39 3cpw n GLY 88 Ca 0.15 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 3cpw n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cpw s LEU 89 N 0.00 3.80 0.00 0.99 1.43 0.28 -4.99 118.68 120.19 3cpw s LEU 89 Ca 0.00 -0.05 0.27 0.00 -1.03 0.00 0.00 54.13 53.32 3cpw s LEU 89 Cb 0.00 -2.46 0.92 0.00 0.03 0.00 0.00 46.19 44.68 3cpw s LEU 89 CO 0.00 0.14 1.70 1.21 0.23 0.00 0.00 176.35 179.63 3cpw n GLU 90 N 0.20 0.05 -3.43 1.70 2.13 -1.26 -3.86 120.64 116.18 3cpw n GLU 90 Ca -0.09 -0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.52 3cpw n GLU 90 Cb 0.53 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.72 3cpw n GLU 90 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3cpw n VAL 91 N -1.46 0.00 -2.62 6.31 0.31 -1.26 -5.03 118.33 114.58 3cpw n VAL 91 Ca 0.07 -1.57 -0.23 0.00 -0.01 0.00 0.00 64.34 62.60 3cpw n VAL 91 Cb 0.33 0.05 0.10 0.00 -0.91 0.00 0.00 33.84 33.41 3cpw n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cpw s GLY 92 N -3.19 1.76 -0.19 2.92 0.00 -1.26 -4.06 107.32 103.30 3cpw s GLY 92 Ca 0.12 -1.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.05 3cpw s GLY 92 CO 0.08 -1.19 0.40 -0.45 0.00 0.00 0.00 173.10 171.94 3cpw s SER 93 N -4.71 -0.21 0.39 1.64 0.15 -0.77 -4.73 113.70 105.46 3cpw s SER 93 Ca 0.65 0.95 0.11 0.00 0.70 0.00 0.00 55.95 58.35 3cpw s SER 93 Cb -0.06 1.24 0.79 0.00 -1.71 0.00 0.00 66.02 66.28 3cpw s SER 93 CO 0.43 -0.23 1.90 0.00 1.20 0.00 0.00 173.24 176.54 3cpw h ALA 94 N 8.11 1.49 -2.31 5.45 0.00 -1.96 -3.40 119.26 126.64 3cpw h ALA 94 Ca -0.17 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3cpw h ALA 94 Cb 1.11 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.65 3cpw h ALA 94 CO 0.13 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 3cpw s ALA 95 N -4.57 -1.27 0.02 0.00 0.00 -1.26 -0.72 121.76 113.96 3cpw s ALA 95 Ca -0.05 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 3cpw s ALA 95 Cb 0.15 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3cpw s ALA 95 CO 0.73 -0.36 0.17 0.00 0.00 0.00 0.00 175.76 176.30 3cpw s ALA 96 N -1.55 -0.34 -0.07 0.00 0.00 -0.08 -2.18 121.76 117.55 3cpw s ALA 96 Ca -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 3cpw s ALA 96 Cb -0.02 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3cpw s ALA 96 CO 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 175.76 175.51 3cpw s ALA 97 N -2.02 0.72 -0.90 0.00 0.00 -0.14 0.19 121.76 119.62 3cpw s ALA 97 Ca -0.09 -0.13 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 3cpw s ALA 97 Cb -0.04 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.45 3cpw s ALA 97 CO -0.01 -0.33 1.46 0.08 0.00 0.00 0.00 175.76 176.96 3cpw s VAL 98 N 1.65 3.79 -0.95 0.00 1.01 0.13 0.38 120.40 126.41 3cpw s VAL 98 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 3cpw s VAL 98 Cb -0.13 -4.87 0.06 0.00 0.00 0.00 0.00 36.38 31.44 3cpw s VAL 98 CO -0.04 -1.78 1.37 0.28 0.00 0.00 0.00 175.10 174.93 3cpw s THR 99 N 5.86 3.99 -0.05 3.92 -1.32 0.00 -2.98 115.64 125.06 3cpw s THR 99 Ca 0.45 -0.62 -0.04 0.00 -1.21 0.00 0.00 61.69 60.28 3cpw s THR 99 Cb -0.04 -4.99 0.01 0.00 -1.51 0.00 0.00 72.50 65.98 3cpw s THR 99 CO 0.01 -1.86 0.08 0.47 -2.21 0.00 0.00 174.62 171.10 3cpw n ASP 100 N 8.68 -2.98 -3.19 8.08 9.92 -1.26 -3.51 116.55 132.29 3cpw n ASP 100 Ca 0.25 0.77 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 3cpw n ASP 100 Cb 0.50 -3.10 0.00 0.00 -0.64 0.00 0.00 41.12 37.88 3cpw n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cpw n ALA 101 N 0.87 0.00 -3.15 2.24 0.00 -1.26 -0.83 120.51 118.38 3cpw n ALA 101 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.35 3cpw n ALA 101 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 3cpw n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3cpw s GLY 102 N -1.53 -1.04 -1.02 0.00 0.00 -1.26 -3.91 107.32 98.55 3cpw s GLY 102 Ca 0.00 1.71 -0.00 0.00 0.00 0.00 0.00 44.72 46.43 3cpw s GLY 102 CO 0.00 3.45 0.02 1.18 0.00 0.00 0.00 173.10 177.75 3cpw n GLU 103 N 5.43 -2.31 0.00 2.90 1.02 -1.26 -4.31 120.64 122.10 3cpw n GLU 103 Ca 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3cpw n GLU 103 Cb 0.52 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 3cpw n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cpw n ALA 104 N -2.28 0.00 -0.39 0.62 0.00 -1.26 -4.86 120.51 112.35 3cpw n ALA 104 Ca -0.14 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.61 3cpw n ALA 104 Cb 0.61 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.63 3cpw n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cpw h ASP 105 N 0.00 0.35 0.44 0.00 3.32 -1.91 0.44 116.42 119.07 3cpw h ASP 105 Ca 0.00 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3cpw h ASP 105 Cb 0.13 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3cpw h ASP 105 CO 0.00 -0.14 -0.21 0.00 -1.72 0.00 0.00 179.24 177.17 3cpw h ALA 106 N 1.69 -0.59 0.04 3.45 0.00 -1.98 -1.79 119.26 120.08 3cpw h ALA 106 Ca 0.76 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.52 3cpw h ALA 106 Cb 2.14 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 20.14 3cpw h ALA 106 CO -0.47 -0.75 -0.14 -0.44 0.00 0.00 0.00 179.25 177.45 3cpw h ASP 107 N -0.76 -0.41 -0.72 0.00 3.32 -0.62 -2.26 116.42 114.97 3cpw h ASP 107 Ca -0.06 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.20 3cpw h ASP 107 Cb 0.53 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.13 3cpw h ASP 107 CO 0.10 -0.21 0.08 0.58 -1.72 0.00 0.00 179.24 178.08 3cpw h VAL 108 N -0.26 0.45 0.03 -1.35 2.07 -0.83 -0.34 116.25 116.03 3cpw h VAL 108 Ca 0.04 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3cpw h VAL 108 Cb 0.30 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3cpw h VAL 108 CO -0.12 0.03 -0.33 -0.08 0.02 0.00 0.00 177.57 177.10 3cpw h GLU 109 N 0.18 -0.48 -0.29 1.57 4.81 -0.75 -0.61 114.58 119.01 3cpw h GLU 109 Ca 0.40 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.71 3cpw h GLU 109 Cb 0.68 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 3cpw h GLU 109 CO -0.57 -0.32 -0.01 -0.44 -0.73 0.00 0.00 179.01 176.94 3cpw h ASP 110 N -0.50 -0.13 -0.87 1.04 3.32 -0.75 -1.50 116.42 117.02 3cpw h ASP 110 Ca 0.05 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3cpw h ASP 110 Cb 0.57 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 3cpw h ASP 110 CO -0.25 -0.03 0.56 0.40 -1.72 0.00 0.00 179.24 178.20 3cpw h ILE 111 N 0.08 1.14 -0.89 0.35 2.04 -0.87 0.44 117.51 119.80 3cpw h ILE 111 Ca 0.14 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3cpw h ILE 111 Cb 0.18 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 3cpw h ILE 111 CO -0.24 0.20 0.53 0.00 0.00 0.00 0.00 178.15 178.64 3cpw h ALA 112 N 1.36 1.13 -0.04 1.87 0.00 -0.41 -1.72 119.26 121.45 3cpw h ALA 112 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3cpw h ALA 112 Cb 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3cpw h ALA 112 CO -0.12 0.59 -0.01 -0.44 0.00 0.00 0.00 179.25 179.28 3cpw h ASP 113 N 1.22 0.08 -0.70 0.00 3.32 0.05 -1.46 116.42 118.93 3cpw h ASP 113 Ca 0.32 -0.35 0.11 0.00 0.02 0.00 0.00 57.03 57.13 3cpw h ASP 113 Cb -0.04 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.41 3cpw h ASP 113 CO -0.06 0.41 0.31 0.11 -1.72 0.00 0.00 179.24 178.28 3cpw h LYS 114 N -0.25 0.49 0.01 3.56 1.57 0.01 -1.19 116.57 120.77 3cpw h LYS 114 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3cpw h LYS 114 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3cpw h LYS 114 CO 0.00 0.32 -0.00 0.28 -0.57 0.00 0.00 179.45 179.48 3cpw h VAL 115 N 0.50 1.16 -0.97 0.50 2.07 -1.28 0.96 116.25 119.18 3cpw h VAL 115 Ca 0.36 -0.48 0.24 0.00 0.82 0.00 0.00 66.70 67.63 3cpw h VAL 115 Cb 0.46 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 3cpw h VAL 115 CO -0.32 0.13 0.64 -0.33 0.02 0.00 0.00 177.57 177.71 3cpw h GLU 116 N -0.21 0.34 0.03 1.57 4.39 -0.59 0.70 114.58 120.81 3cpw h GLU 116 Ca -0.00 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 3cpw h GLU 116 Cb 0.21 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3cpw h GLU 116 CO 0.00 0.22 -1.04 0.93 -1.16 0.00 0.00 179.01 177.96 3cpw h GLU 117 N 0.35 0.08 0.00 2.33 5.08 -0.80 -2.77 114.58 118.85 3cpw h GLU 117 Ca 0.52 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3cpw h GLU 117 Cb 1.40 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.69 3cpw h GLU 117 CO -0.19 1.04 0.00 -0.11 -1.00 0.00 0.00 179.01 178.75 3cpw n LEU 118 N -3.42 0.00 0.00 1.33 7.94 0.24 -5.10 117.00 117.99 3cpw n LEU 118 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3cpw n LEU 118 Cb 0.95 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.90 3cpw n LEU 118 CO 0.49 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.63